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Substrate
The program prepares substrate from a POSCAR file and specified Miller's indeces, thickness of the layer, and shift.
Example:
POSCAR
/
CIF
Authors:
Pavel Bushlanov
(main code),
Maksim Rakitin
(web interface)
POSCAR/CIF:
POSCAR
CIF
Note:
POSCAR file must have the line with elements names!
Note:
CIF file must have symmetry operators, as in the provided
example
!
Miller index h:
default: 1, valid values: 0-10
Miller index k:
default: 1, valid values: 0-10
Miller index l:
default: 1, valid values: 0-10
Material layer thickness (in Å):
default: 10, valid values: 0-1000
Vacuum layer thickness (in Å):
default: 10, valid values: 0-1000